Compound Detail
CHEMBL3594241
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL3594241 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GVKRUTFARUBHKM-IARCLGRTSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
252.3
MW (Da)
2.68
ALogP
3
HBA
1
HBD
46.5
PSA (Ų)
0.62
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.24
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 5.24 | 5.24 | 5700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | IC50 | = | 5700.0 | nM | 5.24 | Antiinflammatory activity in C57BL6/J mouse BV2 cells assessed as inhibition of ... | 26110443 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26110443 | 10.1021/np500951s | NON-PROTEIN TARGET | 2 |
| 26110443 | 10.1021/np500951s | Coxsackievirus B3 | 1 |
Data from ChEMBL 36 via Core Engine